1-(2-methoxyethyl)-3-[(1R)-1-naphthalen-1-ylethyl]thiourea

C16H20N2OS — CID 8724827

IUPAC1-(2-methoxyethyl)-3-[(1R)-1-naphthalen-1-ylethyl]thiourea
SMILESCOCCNC(=S)N[C@H](C)c1cccc2ccccc12
InChIInChI=1S/C16H20N2OS/c1-12(18-16(20)17-10-11-19-2)14-9-5-7-13-6-3-4-8-15(13)14/h3-9,12H,10-11H2,1-2H3,(H2,17,18,20)/t12-/m1/s1
InChIKeyPIEMNTHTZCHOQL-GFCCVEGCSA-N
MW288.42 g/mol
LogP3.01
Rot. Bonds5

About 1-(2-methoxyethyl)-3-[(1R)-1-naphthalen-1-ylethyl]thiourea

1-(2-methoxyethyl)-3-[(1R)-1-naphthalen-1-ylethyl]thiourea (PubChem CID 8724827) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-3-[(1R)-1-naphthalen-1-ylethyl]thiourea.

Molecular Properties

Compound Name1-(2-methoxyethyl)-3-[(1R)-1-naphthalen-1-ylethyl]thiourea
PubChem CID8724827
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name1-(2-methoxyethyl)-3-[(1R)-1-naphthalen-1-ylethyl]thiourea
SMILESCOCCNC(=S)N[C@H](C)c1cccc2ccccc12
InChIInChI=1S/C16H20N2OS/c1-12(18-16(20)17-10-11-19-2)14-9-5-7-13-6-3-4-8-15(13)14/h3-9,12H,10-11H2,1-2H3,(H2,17,18,20)/t12-/m1/s1
InChIKeyPIEMNTHTZCHOQL-GFCCVEGCSA-N
XLogP3.01
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-[2-(dimethylamino)ethyl]-3-[(1S)-1-naphthalen-1-ylethyl]thiourea
CID 8724859
1-(2-methoxyethyl)-3-(1-phenylethyl)thiourea
CID 19649785
N-(2-methoxyethyl)-2-[4-[2-(1-naphthalen-1-ylethylamino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 24507241
1-(4-methoxyphenyl)-3-[(1R)-1-naphthalen-1-ylethyl]thiourea
CID 8657834
1-(2-morpholin-4-ium-4-ylethyl)-3-[(1R)-1-naphthalen-1-ylethyl]thiourea
CID 8724817
1-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-3-(2-methoxyethyl)thiourea
CID 51390311
1-(2-methylphenyl)-3-[(1R)-1-naphthalen-1-ylethyl]thiourea
CID 8657843
1-(4-methylphenyl)-3-[(1S)-1-naphthalen-1-ylethyl]thiourea
CID 8657829
1-(4-ethoxyphenyl)-3-[(1R)-1-naphthalen-1-ylethyl]thiourea
CID 8657836
1-(2,3-dimethylphenyl)-3-[(1R)-1-naphthalen-1-ylethyl]thiourea
CID 8657853
1-[(1S)-1-naphthalen-1-ylethyl]-3-pyridin-2-ylthiourea
CID 3003559
N'-(1-naphthalen-1-ylethyl)-N-[(1S)-1-naphthalen-1-ylethyl]oxamide
CID 90809930

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-3-[(1R)-1-naphthalen-1-ylethyl]thiourea?
The IUPAC name of 1-(2-methoxyethyl)-3-[(1R)-1-naphthalen-1-ylethyl]thiourea (CID 8724827) is 1-(2-methoxyethyl)-3-[(1R)-1-naphthalen-1-ylethyl]thiourea.
What is the SMILES notation for 1-(2-methoxyethyl)-3-[(1R)-1-naphthalen-1-ylethyl]thiourea?
The canonical SMILES for 1-(2-methoxyethyl)-3-[(1R)-1-naphthalen-1-ylethyl]thiourea is COCCNC(=S)N[C@H](C)c1cccc2ccccc12.
What is the InChIKey of 1-(2-methoxyethyl)-3-[(1R)-1-naphthalen-1-ylethyl]thiourea?
The InChIKey is PIEMNTHTZCHOQL-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-12(18-16(20)17-10-11-19-2)14-9-5-7-13-6-3-4-8-15(13)14/h3-9,12H,10-11H2,1-2H3,(H2,17,18,20)/t12-/m1/s1.
What are the key properties of 1-(2-methoxyethyl)-3-[(1R)-1-naphthalen-1-ylethyl]thiourea?
1-(2-methoxyethyl)-3-[(1R)-1-naphthalen-1-ylethyl]thiourea has a molecular weight of 288.42 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-3-[(1R)-1-naphthalen-1-ylethyl]thiourea is sourced from PubChem (CID 8724827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).